1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide

C14H24IN3S — CID 111495559

IUPAC1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Cc1cccs1)NC1CC1.I
InChIInChI=1S/C14H23N3S.HI/c1-3-15-14(17-12-6-7-12)16-10-11(2)9-13-5-4-8-18-13;/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H2,15,16,17);1H
InChIKeyRQLLYESSRMVGMJ-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.26
Rot. Bonds6

About 1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide

1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide (PubChem CID 111495559) has the molecular formula C14H24IN3S and a molecular weight of 393.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
PubChem CID111495559
Molecular FormulaC14H24IN3S
Molecular Weight393.34 g/mol
Exact Mass393.07
IUPAC Name1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Cc1cccs1)NC1CC1.I
InChIInChI=1S/C14H23N3S.HI/c1-3-15-14(17-12-6-7-12)16-10-11(2)9-13-5-4-8-18-13;/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H2,15,16,17);1H
InChIKeyRQLLYESSRMVGMJ-UHFFFAOYSA-N
XLogP3.26
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111515345
1,3-diethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111465195
ethyl 4-[[N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111516205
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111979338
1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673165
1-cyclopropyl-3-ethyl-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110988881
1-ethyl-3-[2-(4-methylpiperazin-1-yl)propyl]-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111673642
1-[3-(dimethylamino)propyl]-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111673634
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111987590
1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673615
N-[3-[[N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111673216
1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111674188

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide (CID 111495559) is 1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)Cc1cccs1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide?
The InChIKey is RQLLYESSRMVGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S.HI/c1-3-15-14(17-12-6-7-12)16-10-11(2)9-13-5-4-8-18-13;/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H2,15,16,17);1H.
What are the key properties of 1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide?
1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide has a molecular weight of 393.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111495559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).